Information card for entry 4330525

Structure parameters

• Formula: C42 H37 B Cl2 F4 O P2 S W2
• Calculated formula: C42 H35 B Cl2 F4 O P2 S W2
• SMILES: [W]123456([W]789%10(Sc%11ccccc%11)([P]1(c1ccccc1)c1ccccc1)([P]2(c1ccccc1)c1ccccc1)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Reactions of the Unsaturated Hydroxo Complex [W2Cp2(OH)(μ-PPh2)2(CO)]BF4 with Mono- and Bidentate Ligands Having E-H bonds (E = O, S, N)
• Authors of publication: Fernanda Cimadevilla; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10427 - 10436
• a: 12.674 ± 0.004 Å
• b: 13.068 ± 0.005 Å
• c: 13.067 ± 0.005 Å
• α: 90°
• β: 102.7 ± 0.05°
• γ: 90°
• Cell volume: 2111.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No